Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate
TL;DR: Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate (CAS 84605-28-7) is a chemical compound with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-4-methylpentan-2-yl]oxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate, Phosphorodithioic acid, mixed O,O'-bis(1,3-dimethylbutyl and 1-methylethyl)esters, Phosphorodithioic acid, mixed O,O-bis(1,3-dimethylbutyl and iso-Pr) esters, Phosphorodithioic acid, mixed O,O'-bis(1,3-dimethylbutyl and 1-methylethyl) esters, [(2R)-4-methylpentan-2-yl]oxy-propan-2-yloxy-sulfanyl-sulfanylidene-
| Molecular Formula | C9H21O2PS2 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 4.0169 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.07205 |
| Heavy Atoms | 14 |
| Complexity | 206.98863 |
Chemical Identifiers
| CAS Number | 84605-28-7 |
|---|---|
| SMILES | C[C@H](CC(C)C)OP(=S)(OC(C)C)S |
Product Overview
Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate (CAS 84605-28-7), with molecular formula C9H21O2PS2 and molecular weight 256.07 g/mol. IUPAC: [(2R)-4-methylpentan-2-yl]oxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate
Property Insights of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate
The XLogP value of 4.0169 indicates that Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate?
The CAS number of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate is 84605-28-7.
What is the molecular formula of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate?
The molecular formula of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate is C9H21O2PS2.
What is the molecular weight of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate?
The molecular weight of Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate is 256.07 g/mol.
Where can I buy Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate?
You can request a quote for Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate?
Yes, KEHONG BIO provides custom synthesis services for Mixed O,O-bis(1,3-dimethylbutyl and isopropyl) dithiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.